Towards 3D crystal orientation reconstruction using automated crystal orientation mapping transmission electron microscopy (ACOM-TEM)

• Aaron Kobler and
• Christian Kübel

Beilstein J. Nanotechnol. 2018, 9, 602–607, doi:10.3762/bjnano.9.56

• experimental diffraction pattern with a database of simulated diffraction patterns covering all crystal orientations and phases for the investigated material, is a fast and robust evaluation routine. Moreover, ACOM-TEM is a quantitative method with respect to sample parameters like grain size, twin density

Synthesis of [{AgO₂CCH₂OMe(PPh₃)}_n] and theoretical study of its use in focused electron beam induced deposition

• Jelena Tamuliene,
• Julian Noll,
• Peter Frenzel,
• Tobias Rüffer,
• Alexander Jakob,
• Bernhard Walfort and
• Heinrich Lang

Beilstein J. Nanotechnol. 2017, 8, 2615–2624, doi:10.3762/bjnano.8.262

• . Data have been deposited with the Cambridge Structural Database under CCDC 1552018. Synthesis of [{AgO2CCH2OMe}n] (1) [11]. Silver(I) nitrate (0.5 g (2.94 mmol)) was dissolved in a mixture of 20 mL of ethanol and 0.25 mL of acetonitrile at 25 °C. To this solution a mixture of 0.26 g (2.89 mmol, 0.22 mL

Amplified cross-linking efficiency of self-assembled monolayers through targeted dissociative electron attachment for the production of carbon nanomembranes

• Sascha Koch,
• Christopher D. Kaiser,
• Paul Penner,
• Michael Barclay,
• Lena Frommeyer,
• Daniel Emmrich,
• Patrick Stohmann,
• Tarek Abu-Husein,
• Andreas Terfort,
• D. Howard Fairbrother,
• Oddur Ingólfsson and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2017, 8, 2562–2571, doi:10.3762/bjnano.8.256

• . In a control experiment, DEA to 2-bromobiphenyl-4-thiol was also studied. The effect of the 4-thiol group was found to be insignificant. For comparison, we have recorded positive ion mass spectra at 70 eV (not shown here), and we find that these agree well with those available in the NIST database

Synthesis of metal-fluoride nanoparticles supported on thermally reduced graphite oxide

• Alexa Schmitz,
• Kai Schütte,
• Vesko Ilievski,
• Juri Barthel,
• Laura Burk,
• Rolf Mülhaupt,
• Junpei Yue,
• Bernd Smarsly and
• Christoph Janiak

Beilstein J. Nanotechnol. 2017, 8, 2474–2483, doi:10.3762/bjnano.8.247

• deposited in the crystallographic open database (COD) (Figures S4–S19, Supporting Information File 1). For example, for PrF3 the PXRD matches the hexagonal close-packed (hcp) structure of praseodymium metal trifluoride with space group P63/mcm (Figure 1). The formation of metal fluorides instead of metal

Calcium fluoride based multifunctional nanoparticles for multimodal imaging

• Marion Straßer,
• Joachim H. X. Schrauth,
• Sofia Dembski,
• Daniel Haddad,
• Bernd Ahrens,
• Stefan Schweizer,
• Bastian Christ,
• Alevtina Cubukova,
• Marco Metzger,
• Heike Walles,
• Peter M. Jakob and
• Gerhard Sextl

Beilstein J. Nanotechnol. 2017, 8, 1484–1493, doi:10.3762/bjnano.8.148

• part, the XRD pattern of the CaF2:(Tb3+,Gd3+) NPs (d = 5–10 nm, doping concentration of Tb3+ and Gd3+: 1 mol %) is plotted. Below a reference spectrum from the database JCPDS (Joint Committee on Powder Diffraction Standards, Powder Diffraction File: 035-0816) is shown. The reflexes of both spectra

Low uptake of silica nanoparticles in Caco-2 intestinal epithelial barriers

• Dong Ye,
• Mattia Bramini,
• Delyan R. Hristov,
• Sha Wan,
• Anna Salvati,
• Christoffer Åberg and
• Kenneth A. Dawson

Beilstein J. Nanotechnol. 2017, 8, 1396–1406, doi:10.3762/bjnano.8.141

• optimized for size range analysis 0.03–1 µm). A 476 nm polyvinyl chloride (PVC; Analytik UK) commercial standard was used to calibrate the instrument before each measurement. Each gradient was checked by running the PVC standard as a sample and comparing to a database control. 100 µL of standard was

Deposition of exchange-coupled dinickel complexes on gold substrates utilizing ambidentate mercapto-carboxylato ligands

• Martin Börner,
• Laura Blömer,
• Marcus Kischel,
• Peter Richter,
• Georgeta Salvan,
• Dietrich R. T. Zahn,
• Pablo F. Siles,
• Maria E. N. Fuentes,
• Carlos C. B. Bufon,
• Daniel Grimm,
• Oliver G. Schmidt,
• Daniel Breite,
• Bernd Abel and
• Berthold Kersting

Beilstein J. Nanotechnol. 2017, 8, 1375–1387, doi:10.3762/bjnano.8.139

• with absolute ethanol and dried in a stream of ultrahigh purity nitrogen. The modelling environments CompleteEASE and WVASE32 (both J. A. Woollam Co., Inc.) were used for data evaluation. The dielectric function of a pristine gold substrate, measured and modelled in agreement with database values, was

Hierarchically structured nanoporous carbon tubes for high pressure carbon dioxide adsorption

• Julia Patzsch,
• Deepu J. Babu and
• Jörg J. Schneider

Beilstein J. Nanotechnol. 2017, 8, 1135–1144, doi:10.3762/bjnano.8.115

• storage vessel as well as in the adsorption chamber. The setup was calibrated at 25 °C using high purity N2 (99.999%) and the density values were obtained from the NIST database. The calibration values were validated by measuring CO2 (99.998%) adsorption on a Norit R1 extra™ device at 25 °C following the

• was further subjected to an in situ activation process by overnight heating in vacuum at a temperature of 150 °C. CO2 adsorption measurements were carried out at 25 °C and CO2 density values, for a given pressure and temperature, were obtained from the NIST database. As the errors tend to accumulate

Triptycene-terminated thiolate and selenolate monolayers on Au(111)

• Jinxuan Liu,
• Martin Kind,
• Björn Schüpbach,
• Daniel Käfer,
• Stefanie Winkler,
• Wenhua Zhang,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2017, 8, 892–905, doi:10.3762/bjnano.8.91

• , experimentally found: 1452 cm−1). The triptycene spectrum was taken from the NIST database [60]. The calculated spectra were used to aid the assignment of the vibrational bands and to estimate the direction of the corresponding transition dipole moments (TDMs). XPS Note that due to the limitations of the

Association of aescin with β- and γ-cyclodextrins studied by DFT calculations and spectroscopic methods

• Ana I. Ramos,
• Pedro D. Vaz,
• Susana S. Braga and
• Artur M. S. Silva

Beilstein J. Nanotechnol. 2017, 8, 348–357, doi:10.3762/bjnano.8.37

• taken from structures available in the Cambridge Structural Database (CSD) [35]. For β-CD, the coordinates were procured from the structure of inclusion complex β-cyclodextrin·S-(+)-ibuprofen chlathrate hydrate (refcode TUXKUS) [36]; for γ-CD data was taken from the inclusion complex γ

Nanoscale isoindigo-carriers: self-assembly and tunable properties

• Tatiana N. Pashirova,
• Andrei V. Bogdanov,
• Lenar I. Musin,
• Julia K. Voronina,
• Irek R. Nizameev,
• Marsil K. Kadirov,
• Vladimir F. Mironov,
• Lucia Ya. Zakharova,
• Shamil K. Latypov and
• Oleg G. Sinyashin

Beilstein J. Nanotechnol. 2017, 8, 313–324, doi:10.3762/bjnano.8.34

• pentagons based on the XRD data for isoindigo derivatives available in the Cambridge Structural Database. As seen in Figure S8 (Supporting Information File 1), the surface of the oxindole fragment of isoindigo derivatives, for which the crystal structure is currently known is in the range of 0.84–0.87 nm2

From iron coordination compounds to metal oxide nanoparticles

• Mihail Iacob,
• Carmen Racles,
• Codrin Tugui,
• George Stiubianu,
• Adrian Bele,
• Liviu Sacarescu,
• Daniel Timpu and
• Maria Cazacu

Beilstein J. Nanotechnol. 2016, 7, 2074–2087, doi:10.3762/bjnano.7.198

• present any peaks, indicating that both samples are amorphous, while the diffractogram of sample NPT2 (Supporting Information File 1, Figure S9) shows diffraction peaks, which coincide with those from the JCPDS 04-0755 database and are characteristic for maghemite (γ-Fe2O3). The morphology of the

• nm). Comparing the diffraction peaks identified in the WAXD patterns of NPC1–NPC3 samples (Supporting Information File 1, Figure S21) with those from the ICDD database for different oxides, it was determined that the peaks in the NPC1 and NPC3 spectra coincide with those of the well-established

Effect of nanostructured carbon coatings on the electrochemical performance of Li_1.4Ni_0.5Mn_0.5O_2+x-based cathode materials

• Konstantin A. Kurilenko,
• Oleg A. Shlyakhtin,
• Oleg A. Brylev,
• Dmitry I. Petukhov and
• Alexey V. Garshev

Beilstein J. Nanotechnol. 2016, 7, 1960–1970, doi:10.3762/bjnano.7.187

• diffractometer (Rigaku) in the reflection mode with Cu Kα radiation and a curved-graphite [2] monochromator placed in the reflected beam (2θ range 10–90°, step 0.02°, acquisition time 3 s per step).The analysis of diffraction patterns was performed by using WinXPow software and PDF-2 powder diffraction database

Nanostructured TiO₂-based gas sensors with enhanced sensitivity to reducing gases

• Wojciech Maziarz,
• Anna Kusior and
• Anita Trenczek-Zajac

Beilstein J. Nanotechnol. 2016, 7, 1718–1726, doi:10.3762/bjnano.7.164

• the PDF-2 database. Scanning electron microscopy (SEM) images of top- and side-view of the samples were obtained with a NOVA NANO SEM 200 (FEI) instrument. Gas sensitivity measurements For gas sensitivity measurements, a custom-made apparatus, presented in Figure 1, was used. The sensors were placed

Influence of synthesis conditions on microstructure and phase transformations of annealed Sr₂FeMoO_6−x nanopowders formed by the citrate–gel method

• Marta Yarmolich,
• Nikolai Kalanda,
• Sergey Demyanov,
• Herman Terryn,
• Jon Ustarroz,
• Maksim Silibin and
• Gennadii Gorokh

Beilstein J. Nanotechnol. 2016, 7, 1202–1207, doi:10.3762/bjnano.7.111

• collected with an angular step of 0.05° at 5 s per step. The XRD patterns were refined using the ICSD-PDF2 (Release 2000) database and the FULLPROF [19] and PowderCell [25] Rietveld refinement programs. The heat capacity of the nanopowders of SFMO-4, SFMO-6, and SFMO-9 were measured in the temperature range

High antiviral effect of TiO₂·PL–DNA nanocomposites targeted to conservative regions of (−)RNA and (+)RNA of influenza A virus in cell culture

• Asya S. Levina,
• Marina N. Repkova,
• Elena V. Bessudnova,
• Ekaterina I. Filippova,
• Natalia A. Mazurkova and
• Valentina F. Zarytova

Beilstein J. Nanotechnol. 2016, 7, 1166–1173, doi:10.3762/bjnano.7.108

• replication. To find the most conservative regions of segment 5, we analyzed nucleotide sequences of various subtypes of IAV available in the NCBI Influenza Virus Resource database (http://www.ncbi.nlm.nih.gov). We have chosen the four most conservative regions, i.e. the noncoding region located on the 3’-end

Manufacturing and investigation of physical properties of polyacrylonitrile nanofibre composites with SiO₂, TiO₂ and Bi₂O₃ nanoparticles

• Tomasz Tański,
• Wiktor Matysiak and
• Barbara Hajduk

Beilstein J. Nanotechnol. 2016, 7, 1141–1155, doi:10.3762/bjnano.7.106

• dedicated database of PAN-ICSD files was used. The resulting polymer composite nanofibres were quantitatively and qualitatively analysed using EDX microanalysis and surface topography imaging using a Zeiss Supra 35 SEM, with a Trident XM4 X-ray spectrometer supplied by EDAX. Based on the SEM micrographs

• line was observed, the so-called widening of the liquid, which indicates an amorphous crystal structure (Figure 2). The angular position of the diffraction line was, according to data contained in the ICDD JCPDS database, that of amorphous SiO2. Figure 3 shows TEM images of the studied nanopowders

Characterisation of thin films of graphene–surfactant composites produced through a novel semi-automated method

• Nik J. Walch,
• Alexei Nabok,
• Frank Davis and
• Séamus P. J. Higson

Beilstein J. Nanotechnol. 2016, 7, 209–219, doi:10.3762/bjnano.7.19

• oxide (SiO2) which is typically present on the surface of Si; (3) the deposited layer of PAH/graphene(−)SDS. The ambient was air. Optical parameters for Si and SiO2 were taken from the J. A. Woollam database. The fitting was first performed for ellipsometric spectra of the Si/SiO2 substrate. For the set

Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

• Wen Yu,
• Frank Schramm,
• Eufemio Moreno Pineda,
• Yanhua Lan,
• Olaf Fuhr,
• Jinjie Chen,
• Hironari Isshiki,
• Wolfgang Wernsdorfer,
• Wulf Wulfhekel and
• Mario Ruben

Beilstein J. Nanotechnol. 2016, 7, 126–137, doi:10.3762/bjnano.7.15

• atoms. Full crystallographic details can be found in CIF format (see the Cambridge Crystallographic Data Centre database, 1427566, 1419831–1419834). These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from Cambridge Crystallographic Data Centre, 12 Union

Nanoinformatics for environmental health and biomedicine

• Rong Liu and
• Yoram Cohen

Beilstein J. Nanotechnol. 2015, 6, 2449–2451, doi:10.3762/bjnano.6.253

• implementing effective mechanisms for collecting, validating, storing, sharing, analyzing, modeling, and applying that information.” [1]. At present, nanoinformatics focuses primarily on: nano-data management and database development, nano-data curation, assessment of the value of information in nano-data

• nanomaterials. In one contribution, the latest version of caNanoLab is described along with a critical discussion of the challenges associated with database development for nanomaterials, as well as the needs for nano-data curation and sharing by the biomedical research community [4]. The latest development of

• the eNanoMapper database for nanomaterial safety information is summarized in another contribution [5], while a third contribution reports on the NanoE-Tox database that is concerned with the ecotoxicity of nanomaterials [6]. In addition, important improvements are reported for the Nanotechnology

Mapping bound plasmon propagation on a nanoscale stripe waveguide using quantum dots: influence of spacer layer thickness

• Chamanei S. Perera,
• Alison M. Funston,
• Han-Hao Cheng and
• Kristy C. Vernon

Beilstein J. Nanotechnol. 2015, 6, 2046–2051, doi:10.3762/bjnano.6.208

• waveguide was chosen to be 750 nm to visualise easily under an optical microscope. Silver stripe waveguides were designed to be excited using a 633 nm laser. Permittivities of the materials used in modelling were, Silver as −16.4 + 1.13i [12], ITO as 3.42 + 0.22i from Sopra database, glass 2.3, and SiO2 as

An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology

• Richard L. Marchese Robinson,
• Mark T. D. Cronin,
• Andrea-Nicole Richarz and
• Robert Rallo

Beilstein J. Nanotechnol. 2015, 6, 1978–1999, doi:10.3762/bjnano.6.202

• entry of data into (web-based) searchable databases may not be possible for domain experts (e.g., nanotoxicologists in experimental labs) with little or no informatics support. These researchers may not have their own, in-house database systems and data entry to a third party database at the point of

• files to tab-delimited text files to facilitate computational analysis and database submission. Since there is a growing interest in the use of ISA-TAB-Nano as a community standard for organising nanomaterial data, from a variety of individual researchers and organizations [3][28][29][30][31][32], it is

• compressed ZIP archive (see section 5). 5 NanoPUZZLES Python program to facilitate computational analysis and database submission Excel-based ISA-TAB-Nano templates are presented in this publication and elsewhere [17][23]. However, ISA-TAB-Nano files (Investigation, Study, Assay, Material) are commonly

Nanocuration workflows: Establishing best practices for identifying, inputting, and sharing data to inform decisions on nanomaterials

• Christina M. Powers,
• Karmann A. Mills,
• Stephanie A. Morris,
• Fred Klaessig,
• Sharon Gaheen,
• Nastassja Lewinski and
• Christine Ogilvie Hendren

Beilstein J. Nanotechnol. 2015, 6, 1860–1871, doi:10.3762/bjnano.6.189

• metadata, data completeness, database integration), while the focus of this article is on the nanocuration workflow, or the process of identifying, inputting, and reviewing nanomaterial data in a data repository. In particular, the article discusses: 1) the rationale and importance of a defined workflow in

• (temporal metadata, data completeness, database integration), while the specific focus of this article is on the nanocuration workflow, or the process of identifying, inputting, and reviewing nanomaterial data in a data repository (Figure 1). Discussion i. Importance and relevance of the workflow to

• generate a large number of products and applications. Continuing the current tendency for each organization to maintain its own database with local interpretations of acceptable test protocols and data interpretation will impede the pace of innovation when organizations repeat work already done, but not

Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

• Luc Aymard,
• Yassine Oumellal and
• Jean-Pierre Bonnet

Beilstein J. Nanotechnol. 2015, 6, 1821–1839, doi:10.3762/bjnano.6.186

• the cell (Eeq) is: This calculation was applied for different binary and ternary hydrides used to represent the different intermetallic families. The HSC database [7] and literature data [8] were used to obtain the ΔfH, ΔfG and ΔfS values. I.2.1 Binary hydrides: Figure 2a shows the equilibrium

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials

• Katre Juganson,
• Angela Ivask,
• Irina Blinova,
• Monika Mortimer and
• Anne Kahru

Beilstein J. Nanotechnol. 2015, 6, 1788–1804, doi:10.3762/bjnano.6.183

• database NanoE-Tox that is available as Supporting Information File 2. The database is based on existing literature on ecotoxicology of eight ENMs with different chemical composition: carbon nanotubes (CNTs), fullerenes, silver (Ag), titanium dioxide (TiO2), zinc oxide (ZnO), cerium dioxide (CeO2), copper

• oxide (CuO), and iron oxide (FeOx; Fe2O3, Fe3O4). Altogether, NanoE-Tox database consolidates data from 224 articles and lists altogether 1,518 toxicity values (EC50/LC50/NOEC) with corresponding test conditions and physico-chemical parameters of the ENMs as well as reported toxicity mechanisms and

• sensitive organism (data derived from three or more articles) the toxicity order was as follows: Ag > ZnO > CuO > CeO2 > CNTs > TiO2 > FeOx. We believe NanoE-Tox database contains valuable information for ENM environmental hazard estimation and development of models for predicting toxic potential of ENMs